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2-[(3-iodanylphenyl)carbonyl-(4-nitrophenyl)carbamoyl]benzoic acid

2-[(3-iodanylphenyl)carbonyl-(4-nitrophenyl)carbamoyl]benzoic acid

Systemtic Name:2-[(3-iodanylphenyl)carbonyl-(4-nitrophenyl)carbamoyl]benzoic acid
Openeye Name:2-[(3-iodobenzoyl)-(4-nitrophenyl)carbamoyl]benzoic acid
CAS Name:2-[(N-[(3-iodophenyl)-oxomethyl]-4-nitroanilino)-oxomethyl]benzoic acid
IUPAC Name:2-[(3-iodobenzoyl)-(4-nitrophenyl)carbamoyl]benzoic acid
Traditional Name:2-[(3-iodobenzoyl)-(4-nitrophenyl)carbamoyl]benzoic acid
Formula: C21H13IN2O6
MolecularWeight: 516.24219
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)I)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)I)C(=O)O


InChI

InChI=1S/C21H13IN2O6/c22-14-5-3-4-13(12-14)19(25)23(15-8-10-16(11-9-15)24(29)30)20(26)17-6-1-2-7-18(17)21(27)28/h1-12H,(H,27,28)


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